β-D-Glucopyranosiduronic acid, (3β,16β)-28-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl 3-O-β-D-galactopyranosyl-

CAS Registry Number®

358732-32-8

CAS Name

β-D-Glucopyranosiduronic acid, (3β,16β)-28-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl 3-O-β-D-galactopyranosyl-

Molecular Formula

C48H76O20

Molecular Mass

973.10

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,16β)-28-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl 3-O-β-D-galactopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=358732-32-8 (retrieved 2024-11-13) (CAS RN: 358732-32-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H76O20/c1-43(2)14-15-48(42(62)68-40-33(57)31(55)29(53)23(19-50)64-40)21(16-43)20-8-9-25-45(5)12-11-27(44(3,4)24(45)10-13-46(25,6)47(20,7)17-26(48)51)65-41-35(59)36(34(58)37(67-41)38(60)61)66-39-32(56)30(54)28(52)22(18-49)63-39/h8,21-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)/t21-,22+,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48+/m0/s1

InChIKey

InChIKey=KLBINBPSEHGZTI-QEMWYUTRSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(C[C@@H]2O)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)C(O)CC54C)C2(C)C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,16β)-28-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl 3-O-β-D-galactopyranosyl-
  • Calendasaponin B

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles